Lot numbers can be found on the outside label of a product:
Methyl hippurate
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CAS No. 1205-08-9
- Cat. No. CS-0150655
- Purity≥98%
- MDL No.MFCD00025882
*For research and further manufacturing use only, not for direct human use.
Structure of 1205-08-9
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General Information
- CAS No. 1205-08-9
- Cat. No. CS-0150655
- Purity ≥98%
- MDL No. MFCD00025882
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁NO₃
- Molecular Weight 193.20
- Synonym(s) None
- SMILES COC(CNC(C1=CC=CC=C1)=O)=O
Description
Methyl 2-benzamidoacetate serves as a key intermediate in the synthesis of bioactive heterocycles and peptide mimetics. This compound integrates a benzamido group linked to an ester-functionalized acetic acid backbone, enabling efficient coupling reactions. Its stability under standard conditions supports reliable use in medicinal chemistry workflows.
Application
Methyl 2-benzamidoacetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to β-amino acid derivatives and heterocyclic scaffolds. Its amide and ester functionalities provide orthogonal reactivity for sequential transformations, while its bench-stable nature facilitates handling and purification. The molecule functions effectively in coupling reactions and cyclization protocols, supporting applications in medicinal chemistry and API intermediate synthesis.
Synthesis
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Route1
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In-stock
495-69-2 -
67-56-1 - ~99%
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In-stock
1205-08-9
References
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Hwu, Jih Ru; Hsu, Chuan-Yi; Jain, Moti L. Tetrahedron Letters, 2004 , vol. 45, # 26 p. 5151 - 5154
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Route2
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In-stock
5680-79-5 -
100-52-7
- ~85%
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In-stock
1205-08-9
References
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Ghosh, Subhash Chandra; Ngiam, Joyce S. Y.; Seayad, Abdul M.; Tuan, Dang Thanh; Chai, Christina L. L.; Chen, Anqi Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8007 - 8015,9 Title/Abstract Full Text Show Details Ghosh, Subhash Chandra; Ngiam, Joyce S.Y.; Seayad, Abdul M.; Tuan, Dang Thanh; Chai, Christina L.L.; Chen, Anqi Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8007 - 8015
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Route3
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In-stock
5680-79-5
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98-88-4
- ~99%
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In-stock
1205-08-9
References
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Prein, Michael; Manley, Peter J.; Padwa, Albert Tetrahedron, 1997 , vol. 53, # 23 p. 7777 - 7794
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H319
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.4
- LogP 0.5894
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 3
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Other Classifications
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives
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